[2-(dimethylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CN(C)C(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H22N2O7S/c1-18(2)15(19)11-25-16(20)4-3-7-17-26(21,22)12-5-6-13-14(10-12)24-9-8-23-13/h5-6,10,17H,3-4,7-9,11H2,1-2H3